SCHEMBL4457525

SCHEMBL4457525

CCC(=O)OCC(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.51
▸ GAA P10253 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ACHE P22303 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ BCL9 O00512 1/20 0.46
▸ CTNNB1 P35222 1/20 0.46
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ MAOB P27338 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11664192 0.88 KMT2A (0.62) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL5038535 0.87 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL11664047 0.87 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515255 0.87 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515253 0.87 MAPT (0.55) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4471285 0.86 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL2227658 0.86 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515276 0.86 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL4460728 0.86 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1ALDH1A1
SCHEMBL14515268 0.85 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595181-B2 From thermophilic microorganisms; active at high temperature PROTEUS S.A. (FR) 2009-09-29 — — US claimed
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 — — US disclosed
US-8741593-B2 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2014-06-03 — — US disclosed
EP-1285086-B1 METHOD FOR LIBERATING A PRODUCT COMPRISING A CHEMICAL OXYDATION, DETECTION OF THE PRODUCT AND FURTHER APPLICATIONS PROTEUS (FR) 2013-07-03 — — EP disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 — — US disclosed
US-20070099257-A1 Method for releasing a product comprising chemical oxidation, method for detecting said product and uses thereof PROTEUS (FR) 2007-05-03 — — US disclosed
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